KEGG   DRUG: Asunaprevir
Entry
D10093                      Drug                                   

Name
Asunaprevir (JAN/USAN);
Sunvepra (TN)
  Abbr
ASV
Formula
C35H46ClN5O9S
Exact mass
747.2705
Mol weight
748.2858
Structure
Class
Antiviral
 DG03198  Anti-HCV agent
  DG02001  HCV NS3/4A protease inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Metabolizing enzyme inducer
 DG02853  CYP3A/CYP3A4 inducer
  DG01635  CYP3A4 inducer
Transporter substrate
 DG01665  ABCB1 substrate
 DG02856  SLCO1B1 substrate
Transporter inhibitor
 DG01622  ABCB1 inhibitor
 DG02865  SLCO1B1 inhibitor
 DG02907  SLCO1B3 inhibitor
Remark
ATC code: J05AP06
Efficacy
Antiviral, Protease inhibitor
Comment
Treatment of hepatitis C
Target
HCV NS3/4A protease [KO:K22273 K22274]
  Pathway
ko05160  Hepatitis C
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243], SLCO1B1 [HSA:10599]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
CYP induction: CYP3A4 [HSA:1576]
Transporter inhibition: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234], ABCB1 [HSA:5243]
Structure map
map07044  Antiviral agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AP Antivirals for treatment of HCV infections
     J05AP06 Asunaprevir
      D10093  Asunaprevir (JAN/USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG02001  HCV NS3/4A protease inhibitor
    D10093  Asunaprevir
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D10093  Asunaprevir
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   D10093  Asunaprevir
 Metabolizing enzyme inducer
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    D10093  Asunaprevir
 Transporter substrate
  DG01665  ABCB1 substrate
   D10093  Asunaprevir
  DG02856  SLCO1B1 substrate
   D10093  Asunaprevir
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D10093  Asunaprevir
  DG02865  SLCO1B1 inhibitor
   D10093  Asunaprevir
  DG02907  SLCO1B3 inhibitor
   D10093  Asunaprevir
Antimicrobials [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   HCV NS3/4A inhibitor
    D10093  Asunaprevir (JAN/USAN)
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Polyprotein cleavage inhibitor
   HCV NS3/4A inhibitor
    D10093  Asunaprevir (JAN/USAN)
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10093
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10093
 Drug transporters
  D10093
Other DBs
CAS: 630420-16-5
PubChem: 135626812
ChEMBL: CHEMBL2105735
PDB-CCD: 2R9[PDBj]
LigandBox: D10093
LinkDB
KCF data

ATOM        51
            1   C8y C    14.3982  -18.8068
            2   C8y C    14.3982  -20.1980
            3   C8y C    15.5807  -20.8935
            4   C8x C    16.8327  -20.1980
            5   N5x N    16.8327  -18.8068
            6   C8y C    15.5807  -18.1113
            7   C8x C    13.2158  -18.1113
            8   C8y C    11.9637  -18.8068
            9   C8x C    11.9637  -20.1980
            10  C8x C    13.2158  -20.8935
            11  X   Cl   10.7813  -18.1113
            12  O2a O    15.5807  -22.2847
            13  C1a C    14.3982  -22.9802
            14  O2a O    15.5807  -16.7201
            15  C1y C    16.7631  -16.0246
            16  C1x C    18.0847  -16.4419
            17  C1y C    18.8498  -15.3290
            18  N1y N    18.0152  -14.2161
            19  C1x C    16.7631  -14.7030
            20  C5a C    20.2410  -15.2594
            21  O5a O    20.9365  -16.4419
            22  N1b N    20.9365  -14.0770
            23  C1z C    23.0928  -14.0770
            24  C5a C    18.0152  -12.8250
            25  O5a O    19.1976  -12.1294
            26  C1c C    16.8327  -12.1294
            27  N1b N    15.6502  -12.8250
            28  C7a C    14.4678  -12.1294
            29  O7a O    13.2853  -12.8250
            30  O6a O    14.4678  -10.7383
            31  C1d C    12.1029  -12.1294
            32  C1a C    10.9204  -12.8250
            33  C1a C    12.1029  -10.7383
            34  C1a C    10.8508  -11.4338
            35  C1d C    16.8327  -10.7383
            36  C1a C    15.6502  -10.0427
            37  C1a C    18.0152  -10.0427
            38  C1a C    16.8327   -9.3471
            39  C1x C    24.3448  -14.8421
            40  C1y C    24.3448  -13.4510
            41  C2b C    25.1099  -12.2685
            42  C2a C    26.5011  -12.2685
            43  C5a C    23.0928  -15.4681
            44  O5a O    24.2753  -16.1637
            45  N1b N    21.9103  -16.1637
            46  S4a S    21.9103  -17.5548
            47  O3c O    23.3015  -17.5548
            48  O3c O    20.5192  -17.5548
            49  C1y C    21.9103  -18.9460
            50  C1x C    21.2148  -20.1284
            51  C1x C    22.6059  -20.1284
BOND        55
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    8  11 1
            13    3  12 1
            14   12  13 1
            15    6  14 1
            16   15  14 1 #Up
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   15  19 1
            22   17  20 1 #Down
            23   20  21 2
            24   20  22 1
            25   22  23 1
            26   18  24 1
            27   24  25 2
            28   26  24 1 #Up
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   28  30 2
            33   29  31 1
            34   31  32 1
            35   31  33 1
            36   31  34 1
            37   26  35 1
            38   35  36 1
            39   35  37 1
            40   35  38 1
            41   23  39 1
            42   39  40 1
            43   40  23 1
            44   40  41 1 #Down
            45   41  42 2
            46   23  43 1 #Down
            47   43  44 2
            48   43  45 1
            49   45  46 1
            50   46  47 2
            51   46  48 2
            52   46  49 1
            53   50  51 1
            54   51  49 1
            55   49  50 1

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